4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine

C10H5Br2ClN4O3 — CID 80740183

IUPAC4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)n1
InChIInChI=1S/C10H5Br2ClN4O3/c11-5-1-4(17(18)19)2-6(12)9(5)20-8-3-7(13)15-10(14)16-8/h1-3H,(H2,14,15,16)
InChIKeyFPHZQUQHSJAUQQ-UHFFFAOYSA-N
MW424.44 g/mol
LogP3.94
Rot. Bonds3

About 4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine

4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine (PubChem CID 80740183) has the molecular formula C10H5Br2ClN4O3 and a molecular weight of 424.44 g/mol. Its IUPAC name is 4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine
PubChem CID80740183
Molecular FormulaC10H5Br2ClN4O3
Molecular Weight424.44 g/mol
Exact Mass421.84
IUPAC Name4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)n1
InChIInChI=1S/C10H5Br2ClN4O3/c11-5-1-4(17(18)19)2-6(12)9(5)20-8-3-7(13)15-10(14)16-8/h1-3H,(H2,14,15,16)
InChIKeyFPHZQUQHSJAUQQ-UHFFFAOYSA-N
XLogP3.94
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine
CID 63587249
4-(4-bromo-2-methyl-6-nitrophenoxy)-6-chloropyrimidin-2-amine
CID 80738864
6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80873263
4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228
6-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyrimidin-4-amine
CID 116797883
6-(2,6-dibromo-4-nitrophenoxy)pyridine-2-carboxylic acid
CID 62253740
5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine
CID 62098836
2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine
CID 79633381
1,3-dibromo-2-[5-chloro-2-(chloromethyl)phenoxy]-5-nitrobenzene
CID 114847088
2-(5-bromo-2-fluorophenoxy)-6-chloro-4-nitropyridine
CID 114070754
4-chloro-6-(2,6-dichloro-4-nitrophenoxy)-2-methylsulfanylpyrimidine
CID 80542312
4-(3-bromo-4-fluorophenoxy)-6-chloropyrimidin-2-amine
CID 83235895

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine (CID 80740183) is 4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine is Nc1nc(Cl)cc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)n1.
What is the InChIKey of 4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine?
The InChIKey is FPHZQUQHSJAUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2ClN4O3/c11-5-1-4(17(18)19)2-6(12)9(5)20-8-3-7(13)15-10(14)16-8/h1-3H,(H2,14,15,16).
What are the key properties of 4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine?
4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine has a molecular weight of 424.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80740183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).